3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide

C14H12ClN3O3 — CID 30161822

IUPAC3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ncccc1O
InChIInChI=1S/C14H12ClN3O3/c15-10-4-1-3-9(7-10)14(21)17-8-12(20)18-13-11(19)5-2-6-16-13/h1-7,19H,8H2,(H,17,21)(H,16,18,20)
InChIKeyLQNWCZKJNRDUIP-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.81
Rot. Bonds4

About 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 30161822) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID30161822
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ncccc1O
InChIInChI=1S/C14H12ClN3O3/c15-10-4-1-3-9(7-10)14(21)17-8-12(20)18-13-11(19)5-2-6-16-13/h1-7,19H,8H2,(H,17,21)(H,16,18,20)
InChIKeyLQNWCZKJNRDUIP-UHFFFAOYSA-N
XLogP1.81
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18109524
3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 60550646
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400
3-chloro-N-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]benzamide
CID 60739971
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18109519
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 30161822) is 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)Nc1ncccc1O.
What is the InChIKey of 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is LQNWCZKJNRDUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-4-1-3-9(7-10)14(21)17-8-12(20)18-13-11(19)5-2-6-16-13/h1-7,19H,8H2,(H,17,21)(H,16,18,20).
What are the key properties of 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 305.72 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 30161822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).